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CAS 942077-16-9

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3-Cyano-5-(trifluoromethyl)benzoic acid

Description:
3-Cyano-5-(trifluoromethyl)benzoic acid is an aromatic compound characterized by the presence of a benzoic acid moiety substituted with a cyano group and a trifluoromethyl group. The cyano group (-CN) introduces a strong electron-withdrawing effect, enhancing the compound's reactivity and solubility in polar solvents. The trifluoromethyl group (-CF3) is another electron-withdrawing substituent that significantly influences the compound's physical and chemical properties, such as increasing lipophilicity and altering acidity. This compound typically exhibits high thermal stability and can participate in various chemical reactions, including nucleophilic substitutions and coupling reactions. Its unique structure makes it valuable in pharmaceutical and agrochemical research, where it may serve as an intermediate in the synthesis of biologically active molecules. Additionally, the presence of both cyano and trifluoromethyl groups can impart specific biological activities, making it a subject of interest in medicinal chemistry. Overall, 3-Cyano-5-(trifluoromethyl)benzoic acid is a versatile compound with significant potential in various chemical applications.
Formula:C9H4F3NO2
InChI:InChI=1S/C9H4F3NO2/c10-9(11,12)7-2-5(4-13)1-6(3-7)8(14)15/h1-3H,(H,14,15)
InChI key:InChIKey=CILFQQDMSXNYDM-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=CC(C(O)=O)=CC(C#N)=C1
Synonyms:
  • Benzoic acid, 3-cyano-5-(trifluoromethyl)-
  • 3-Cyano-5-(trifluoromethyl)benzoic acid
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